HMDB0253398 RDKit 3D Ilepatril 58 60 0 0 0 0 0 0 0 0999 V2000 3.4449 -1.3495 2.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 -1.8440 1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 -2.8224 1.9342 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 -1.1483 -0.0239 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 0.1785 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -0.1721 -0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -0.4862 -2.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 -0.1956 0.0466 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 -0.5707 -0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 -1.7960 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7025 -2.3242 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -3.6575 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8707 -4.3409 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 -3.6824 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -2.3438 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9034 -1.6538 0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -0.2828 0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 0.3484 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9924 1.6792 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2967 2.6477 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 1.9315 1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2339 2.6850 1.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 2.1994 1.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 4.0125 1.9259 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 0.6521 0.4576 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 0.5861 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 1.6536 -0.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4035 0.9912 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 1.6220 -1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 2.0552 -2.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -1.6240 3.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4177 -0.2364 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 -1.8059 2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 0.8941 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 0.0694 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0999 -0.8359 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 -2.5917 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 -1.6919 1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7719 -4.1668 -0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8619 -5.3925 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9872 -4.2134 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0546 -1.8981 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4895 -0.2596 1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 -0.3373 -1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2442 0.4629 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 1.5280 -1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9757 2.1296 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7441 3.3648 -0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 3.2252 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0169 1.7495 1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 4.4171 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 0.3157 -2.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5358 0.9240 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 1.9581 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 2.5280 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8834 1.7780 -3.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5777 2.1044 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 3.0325 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 25 1 0 25 26 1 0 26 27 2 0 5 28 1 0 28 29 1 0 28 30 1 0 26 9 1 0 16 11 1 0 25 17 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 24 51 1 0 28 52 1 0 29 53 1 0 29 54 1 0 29 55 1 0 30 56 1 0 30 57 1 0 30 58 1 0 M END